SCHEMBL164349

SCHEMBL164349

Cc1cc(Cl)ccc1-c1nnn(-c2ccco2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
CASP3 P42574 2/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ANO1 Q5XXA6 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28806785 0.81 DPP4 (0.35) CASP3NPC1RAB9ANFKB1NFKB2
SCHEMBL164860 0.78 POLB (0.47) CASP3NPC1RAB9AMAPTKDM4E
SCHEMBL165062 0.75 ANO1 (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL164240 0.74 CASP3 (0.40) NOTUMCASP3NPC1RAB9ANFKB1
SCHEMBL166670 0.70 NPC1 (0.51) NPC1RAB9AMAPK1SMN1; SMN2TSHR
SCHEMBL3266503 0.68 CASP3 (0.62) CASP3NPC1RAB9ANFKB1NFKB2
SCHEMBL14005998 0.67 HSD11B1 (0.53) NOTUMMAPTKDM4EALDH1A1LMNA
SCHEMBL3264375 0.66 CASP3 (0.55) NOTUMCASP3NPC1RAB9ANFKB1
SCHEMBL163726 0.64 PTGS1 (0.48) CASP3NPC1RAB9ANFKB1NFKB2
SCHEMBL3262950 0.64 ALOX15 (0.43) NOTUMCASP3NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611786-B1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-06-12 EP claimed
US-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US claimed
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-08-11 US claimed
US-9339035-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-05-17 US claimed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US claimed
EP-2611786-B1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-06-12 EP disclosed
US-9907306-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2018-03-06 US disclosed
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-08-11 US disclosed
US-9339035-B2 Compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-05-17 US disclosed
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2013-11-14 US disclosed
EP-2611786-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS Monsanto Technology LLC (US) 2013-07-10 EP disclosed
WO-2012030887-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS DIVERGENCE, INC. (US) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130303368-A1 NEW COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C NOTUM 343/4885CASP3 270/4885NPC1 2710/4885
US-20160227780-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS PTMS, TUBA3C, TUBA1C NOTUM 434/4885CASP3 240/4885NPC1 2646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.